SCHEMBL9010847

SCHEMBL9010847

COc1cccc(C(=O)C(=[N+]=[N-])S(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HSD11B1 P28845 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PARP1 P09874 1/20 0.43
STS P08842 1/20 0.43
PKM P14618 1/20 0.42
CA12 O43570 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9010756 0.90 HSD11B1 (0.57) CES2CES1NPC1SMN1; SMN2RAB9A
SCHEMBL9010783 0.86 ALDH1A1 (0.47) SMN1; SMN2TP53MEN1KMT2ALMNA
SCHEMBL9010786 0.85 ALDH1A1 (0.52) CES2CES1NPC1SMN1; SMN2TP53
SCHEMBL6932205 0.82 MAPT (0.50) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL9010806 0.82 KMT2A (0.43) SMN1; SMN2TP53TSHRKMT2ALMNA
SCHEMBL384364 0.82 CES2 (0.51) CES2CES1NPC1SMN1; SMN2TP53
SCHEMBL384240 0.80 ALDH1A1 (0.50) CES2CES1NPC1SMN1; SMN2TP53
SCHEMBL9010795 0.80 CES2 (0.48) CES2CES1HSD11B1KMT2ALMNA
SCHEMBL9010834 0.78 KAT6A (0.49) SMN1; SMN2HSD11B1MEN1KMT2ALMNA
SCHEMBL384366 0.76 CES2 (0.51) CES2CES1NPC1SMN1; SMN2TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417556-B1 Positive-working radiation-sensitive mixture and recording material prepared therefrom HOECHST AG (DE) 1996-12-11 EP disclosed
EP-0444493-B1 Negative working radiation sensitive composition and radiation sensitive recording material produced therefrom HOECHST AG (DE) 1996-11-20 EP disclosed
US-5424166-A Negative-working radiation-sensitive mixture containing diazomethane acid generator and a radiation-sensitive recording material produced therfrom HOECHST AKTIENGESELLSCHAFT (DE) 1995-06-13 US disclosed
US-5340682-A Sensitive, heat resistant, noncorrosive HOECHST AKTIENGESELLSCHAFT (DE) 1994-08-23 US disclosed
EP-0444493-A2 Negative working radiation sensitive composition and radiation sensitive recording material produced therefrom HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-04 EP disclosed
EP-0417556-A2 Positive-working radiation-sensitive mixture and recording material prepared therefrom HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-20 EP disclosed